ChemSpider 2D Image | 4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide | C23H27F3N4O3

4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide

  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID24626828
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[6,6-Dimethyl-4-oxo-3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamid [German] [ACD/IUPAC Name]
4-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide [ACD/IUPAC Name]
4-[6,6-Diméthyl-4-oxo-3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide [French] [ACD/IUPAC Name]
4-[6,6-Dimethyl-4-Oxo-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazol-1-Yl]-2-[(Cis-4-Hydroxycyclohexyl)amino]benzamide
Benzamide, 2-[(4-hydroxycyclohexyl)amino]-4-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]- [ACD/Index Name]
HIE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 619.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.6±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.73
ACD/KOC (pH 5.5): 1307.67
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.17
ACD/KOC (pH 7.4): 1311.31
Polar Surface Area: 110 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 315.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement